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TAN

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CNtrip1.14Å1.16Å
CC2sing1.47Å1.47Å
C1C2sing1.53Å1.52Å
C2C3sing1.53Å1.52Å
C2C4sing1.53Å1.52Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C3H3Bsing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
C4H4Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NCC2175.5°180.0°
CC2C1108.5°109.5°
CC2C3109.4°109.5°
CC2C4109.5°109.5°
C1C2C3108.3°109.5°
C1C2C4110.1°109.5°
C2C1H1109.5°109.5°
C2C1H1A109.5°109.5°
C2C1H1B109.5°109.5°
C3C2C4110.9°109.5°
C2C3H3109.5°109.5°
C2C3H3A109.5°109.5°
C2C3H3B109.5°109.5°
C2C4H4109.5°109.5°
C2C4H4A109.5°109.5°
C2C4H4B109.5°109.5°
H1C1H1A109.5°109.5°
H1C1H1B109.5°109.4°
H1AC1H1B109.4°109.4°
H3C3H3A109.4°109.4°
H3C3H3B109.5°109.5°
H3AC3H3B109.5°109.5°
H4C4H4A109.5°109.5°
H4C4H4B109.4°109.5°
H4AC4H4B109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NCC2C124.7°90.0°
NCC2C3142.7°90.0°
NCC2C495.6°90.0°
CC2C1C3118.7°120.0°
CC2C1C4119.9°120.0°
CC2C3C4120.9°120.0°
CC2C1H1180.0°60.0°
CC2C1H1A60.0°180.0°
CC2C1H1B60.0°60.0°
CC2C3H3180.0°60.0°
CC2C3H3A60.0°180.0°
CC2C3H3B60.0°60.0°
CC2C4H4180.0°60.0°
CC2C4H4A60.0°NaN°
CC2C4H4B60.0°60.0°
C1C2C3C4120.9°120.0°
C2C1H1H1A120.0°120.0°
C2C1H1H1B120.0°120.0°
C2C1H1AH1B120.0°120.0°
C1C2C3H361.8°180.0°
C1C2C3H3A58.1°60.0°
C1C2C3H3B178.1°60.0°
C1C2C4H460.7°60.0°
C1C2C4H4A179.3°60.0°
C1C2C4H4B59.3°180.0°
C3C2C1H161.3°60.0°
C3C2C1H1A178.7°60.0°
C3C2C1H1B58.7°180.0°
C2C3H3H3A120.0°120.0°
C2C3H3H3B120.0°120.0°
C2C3H3AH3B120.0°120.0°
C3C2C4H459.2°180.0°
C3C2C4H4A60.8°60.0°
C3C2C4H4B179.1°60.0°
C4C2C1H160.1°180.0°
C4C2C1H1A59.9°60.0°
C4C2C1H1B179.9°60.0°
C4C2C3H359.1°60.0°
C4C2C3H3A179.0°60.0°
C4C2C3H3B61.0°180.0°
C2C4H4H4A120.0°120.0°
C2C4H4H4B120.0°120.0°
C2C4H4AH4B120.0°120.0°
H1C1H1AH1B120.0°119.9°
H3C3H3AH3B120.0°120.0°
H4C4H4AH4B120.0°120.0°

222415

PDB entries from 2024-07-10

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